(1S)-1-(4-bromophenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine

C19H24BrN — CID 81356704

IUPAC(1S)-1-(4-bromophenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine
SMILESCc1cc(C)c(C(C)N[C@@H](C)c2ccc(Br)cc2)c(C)c1
InChIInChI=1S/C19H24BrN/c1-12-10-13(2)19(14(3)11-12)16(5)21-15(4)17-6-8-18(20)9-7-17/h6-11,15-16,21H,1-5H3/t15-,16?/m0/s1
InChIKeyGMIJBCZYGGSECB-VYRBHSGPSA-N
MW346.31 g/mol
LogP5.79
Rot. Bonds4

About (1S)-1-(4-bromophenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine

(1S)-1-(4-bromophenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine (PubChem CID 81356704) has the molecular formula C19H24BrN and a molecular weight of 346.31 g/mol. Its IUPAC name is (1S)-1-(4-bromophenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(4-bromophenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine
PubChem CID81356704
Molecular FormulaC19H24BrN
Molecular Weight346.31 g/mol
Exact Mass345.11
IUPAC Name(1S)-1-(4-bromophenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine
SMILESCc1cc(C)c(C(C)N[C@@H](C)c2ccc(Br)cc2)c(C)c1
InChIInChI=1S/C19H24BrN/c1-12-10-13(2)19(14(3)11-12)16(5)21-15(4)17-6-8-18(20)9-7-17/h6-11,15-16,21H,1-5H3/t15-,16?/m0/s1
InChIKeyGMIJBCZYGGSECB-VYRBHSGPSA-N
XLogP5.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.31
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(4-fluorophenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine
CID 81351118
(1S)-1-(4-bromophenyl)-N-[1-(4-bromophenyl)ethyl]ethanamine
CID 81353910
(1S)-1-(3-methylphenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine
CID 81367068
N-[1-(4-bromophenyl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43712840
N-[1-(2,4,6-trimethylphenyl)ethyl]propan-2-amine
CID 43190075
1-(4-bromophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]ethanamine
CID 81373795
3-[1-[1-(2,4,6-trimethylphenyl)ethylamino]ethyl]phenol
CID 43748567
N-[(1R)-1-(4-bromophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81354443
N-[(1S)-1-(4-bromophenyl)ethyl]-1-(4-chlorophenyl)ethanamine
CID 81359219
N-[1-(4-bromophenyl)ethyl]-2,4-dimethylaniline
CID 43105030
2-[1-[[(1R)-1-(4-bromophenyl)ethyl]amino]ethyl]-5-methylphenol
CID 81354100
(1R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-(4-bromophenyl)ethanamine
CID 81355700

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-bromophenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine?
The IUPAC name of (1S)-1-(4-bromophenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine (CID 81356704) is (1S)-1-(4-bromophenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine.
What is the SMILES notation for (1S)-1-(4-bromophenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine?
The canonical SMILES for (1S)-1-(4-bromophenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine is Cc1cc(C)c(C(C)N[C@@H](C)c2ccc(Br)cc2)c(C)c1.
What is the InChIKey of (1S)-1-(4-bromophenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine?
The InChIKey is GMIJBCZYGGSECB-VYRBHSGPSA-N. The full InChI is InChI=1S/C19H24BrN/c1-12-10-13(2)19(14(3)11-12)16(5)21-15(4)17-6-8-18(20)9-7-17/h6-11,15-16,21H,1-5H3/t15-,16?/m0/s1.
What are the key properties of (1S)-1-(4-bromophenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine?
(1S)-1-(4-bromophenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine has a molecular weight of 346.31 g/mol, XLogP of 5.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-bromophenyl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine is sourced from PubChem (CID 81356704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).